SCHEMBL4085923

SCHEMBL4085923

Cc1cc(C(=O)CCC(=O)O)cc(C)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
NR4A2 P43354 1/20 0.48
MEN1 O00255 1/20 0.47
USP5 P45974 1/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP2C19 P33261 2/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 2/20 0.43
FFAR1 O14842 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
STING1 Q86WV6 1/20 0.40
PKM P14618 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29317427 0.84 KMT2A (0.57) KMT2ANR4A2MEN1USP5ALDH1A1
SCHEMBL639457 0.80 KMT2A (0.58) KMT2ANR4A2MEN1USP5ALDH1A1
SCHEMBL29895480 0.80 KMT2A (0.58) KMT2ANR4A2MEN1USP5ALDH1A1
SCHEMBL20703168 0.80 CES2 (0.52) KMT2ANR4A2USP5ALDH1A1CYP2C19
SCHEMBL9861846 0.79 ALDH1A1 (0.53) KMT2ANR4A2MEN1USP5ALDH1A1
SCHEMBL22097301 0.78 KMT2A (0.55) KMT2ANR4A2MEN1USP5ALDH1A1
SCHEMBL5081101 0.78 NR4A2 (0.54) KMT2ANR4A2USP5ALDH1A1CYP2C19
SCHEMBL5084680 0.78 KMT2A (0.64) KMT2ANR4A2MEN1USP5ALDH1A1
SCHEMBL5081102 0.77 KMT2A (0.63) KMT2ANR4A2MEN1USP5ALDH1A1
SCHEMBL8755885 0.76 GSK3B (0.43) KMT2AMEN1ALDH1A1CYP2C19CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
EP-2013176-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER Sterix Limited (GB) 2009-01-14 EP disclosed
WO-2007096647-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER STERIX LIMITED (GB) 2007-08-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 KMT2A 2145/4885NR4A2 1028/4885MEN1 1122/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.